SCHEMBL5113458

SCHEMBL5113458

COc1ccc(-c2nc(Cc3ccc(C(N)=O)cc3)[nH]c2-c2ccccn2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.55
TGFBR1 P36897 11/20 0.51
KDR P35968 2/20 0.51
PRKD1 Q15139 2/20 0.51
PDGFRA P16234 1/20 0.51
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
RIPK2 O43353 2/20 0.51
ACVR1B P36896 2/20 0.51
CSNK1A1 P48729 2/20 0.47
CSNK1D P48730 2/20 0.47
CSNK1E P49674 2/20 0.47
CSNK1G2 P78368 1/20 0.47
CSNK1G1 Q9HCP0 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PRKD3 O94806 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5113786 0.89 TGFBR1 (0.58) MAPK14TGFBR1KDRPRKD1PDGFRA
SCHEMBL5107678 0.85 MAPK14 (0.55) MAPK14TGFBR1KDRPRKD1PDGFRA
SCHEMBL5108357 0.84 MAPK14 (0.51) MAPK14TGFBR1PRKD1KITMET
SCHEMBL5107740 0.84 TGFBR1 (0.54) MAPK14TGFBR1KDRPRKD1PDGFRA
SCHEMBL14086503 0.82 TGFBR1 (0.70) MAPK14TGFBR1KDRPRKD1PDGFRA
SCHEMBL13998773 0.79 TGFBR1 (0.75) MAPK14TGFBR1KDRPRKD1PDGFRA
SCHEMBL13998759 0.79 TGFBR1 (0.75) MAPK14TGFBR1KDRPRKD1PDGFRA
SCHEMBL18428541 0.76 TGFBR1 (0.72) MAPK14TGFBR1KDRPRKD1PDGFRA
SCHEMBL5162700 0.76 MAPK14 (0.51) MAPK14TGFBR1KDRPRKD1PDGFRA
SCHEMBL5102628 0.74 TGFBR1 (0.59) MAPK14TGFBR1KDRPRKD1PDGFRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420685-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2013-04-16 US claimed
US-20080319022-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US claimed
US-8420685-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2013-04-16 US disclosed
US-8420685-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2013-04-16 US disclosed
US-8420685-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2013-04-16 US disclosed
US-20080319022-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US disclosed
US-20080319022-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US disclosed
US-20080319022-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US disclosed
US-7407958-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2008-08-05 US disclosed
US-7407958-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2008-08-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080319022-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ALK, ERBB4, ACVR1 MAPK14 681/4885TGFBR1 55/4885KDR 17/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.